Research Data for "Classification and quantitative characterisation of the excited states of π-conjugated diradicals"

Research Data for "Classification and quantitative characterisation of the excited states of π-conjugated diradicals" by L. Matasović, H. Bronstein, R. H. Friend, and F. Plasser.

Content

Input/output files of OpenMolcas and molecular geometries for pQDM potential curve as described in the article.